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89186-35-6

89186-35-6 | L-Tyrosine, N-L-alanyl-, monohydrate

CAS No: 89186-35-6 Catalog No: AG003W07 MDL No:

Product Description

Catalog Number:
AG003W07
Chemical Name:
L-Tyrosine, N-L-alanyl-, monohydrate
CAS Number:
89186-35-6
Molecular Formula:
C12H18N2O5
Molecular Weight:
270.2817
IUPAC Name:
2-(2-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoic acid;hydrate
InChI:
InChI=1S/C12H16N2O4.H2O/c1-7(13)11(16)14-10(12(17)18)6-8-2-4-9(15)5-3-8;/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18);1H2
InChI Key:
ANVDHGUHXGFURD-UHFFFAOYSA-N
SMILES:
C[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)N.O

Properties

Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.122g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
270.285g/mol
Monoisotopic Mass:
270.122g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0

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